2-oxidanyl-3-[4-(2-oxidanyl-3-sulfo-propoxy)phenoxy]propane-1-sulfonic acid

Systemtic Name: 2-oxidanyl-3-[4-(2-oxidanyl-3-sulfo-propoxy)phenoxy]propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-[4-(2-hydroxy-3-sulfo-propoxy)phenoxy]propane-1-sulfonic acid CAS Name: 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropoxy)phenoxy]-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropoxy)phenoxy]propane-1-sulfonic acid Traditional Name: 2-hydroxy-3-[4-(2-hydroxy-3-sulfo-propoxy)phenoxy]propane-1-sulfonic acid Formula: C12H18O10S2 MolecularWeight: 386.39532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(CS(=O)(=O)O)O)OCC(CS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1OCC(CS(=O)(=O)O)O)OCC(CS(=O)(=O)O)O

InChI

InChI=1S/C12H18O10S2/c13-9(7-23(15,16)17)5-21-11-1-2-12(4-3-11)22-6-10(14)8-24(18,19)20/h1-4,9-10,13-14H,5-8H2,(H,15,16,17)(H,18,19,20)